1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-(2-methoxyphenoxy)piperidine

C24H29N3O2 — CID 26391879

IUPAC1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-(2-methoxyphenoxy)piperidine
SMILESCOc1ccccc1OC1CCN(Cc2cn[nH]c2-c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C24H29N3O2/c1-17-8-9-19(14-18(17)2)24-20(15-25-26-24)16-27-12-10-21(11-13-27)29-23-7-5-4-6-22(23)28-3/h4-9,14-15,21H,10-13,16H2,1-3H3,(H,25,26)
InChIKeyCYYRYFOSUMWQEG-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.75
Rot. Bonds6

About 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-(2-methoxyphenoxy)piperidine

1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-(2-methoxyphenoxy)piperidine (PubChem CID 26391879) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-(2-methoxyphenoxy)piperidine.

Molecular Properties

Compound Name1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-(2-methoxyphenoxy)piperidine
PubChem CID26391879
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-(2-methoxyphenoxy)piperidine
SMILESCOc1ccccc1OC1CCN(Cc2cn[nH]c2-c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C24H29N3O2/c1-17-8-9-19(14-18(17)2)24-20(15-25-26-24)16-27-12-10-21(11-13-27)29-23-7-5-4-6-22(23)28-3/h4-9,14-15,21H,10-13,16H2,1-3H3,(H,25,26)
InChIKeyCYYRYFOSUMWQEG-UHFFFAOYSA-N
XLogP4.75
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-(2-methoxyphenoxy)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]ethanone
CID 74229930
ethyl 4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazine-1-carboxylate
CID 25285258
1-(5-chloro-2-pyridinyl)-4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 26394276
[4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 24793141
(3aR,5R,6R,7aS)-6-(2-methoxyphenoxy)-2-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 176505720
4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-(4-phenylphenyl)-1H-pyrazole
CID 45209601
4-[1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]pyridine
CID 25286681
1-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methyl]-4-(methoxymethyl)piperidine
CID 126783125
1-(2-ethoxyphenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 2812423
N-(3,4-dimethylphenyl)-1-[(2-methoxyphenyl)methyl]piperidin-4-amine
CID 3373355
1-(pyridin-3-ylmethyl)-4-[[5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 30723108
3-methoxy-2-[4-(2-methoxyphenoxy)piperidin-1-yl]-6-methylpyridine
CID 146038169

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-(2-methoxyphenoxy)piperidine?
The IUPAC name of 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-(2-methoxyphenoxy)piperidine (CID 26391879) is 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-(2-methoxyphenoxy)piperidine.
What is the SMILES notation for 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-(2-methoxyphenoxy)piperidine?
The canonical SMILES for 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-(2-methoxyphenoxy)piperidine is COc1ccccc1OC1CCN(Cc2cn[nH]c2-c2ccc(C)c(C)c2)CC1.
What is the InChIKey of 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-(2-methoxyphenoxy)piperidine?
The InChIKey is CYYRYFOSUMWQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-17-8-9-19(14-18(17)2)24-20(15-25-26-24)16-27-12-10-21(11-13-27)29-23-7-5-4-6-22(23)28-3/h4-9,14-15,21H,10-13,16H2,1-3H3,(H,25,26).
What are the key properties of 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-(2-methoxyphenoxy)piperidine?
1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-(2-methoxyphenoxy)piperidine has a molecular weight of 391.52 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-4-(2-methoxyphenoxy)piperidine is sourced from PubChem (CID 26391879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).